Vitas-M small molecule compound

7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK835162
SMILES OC(Cn1c(NCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H27N5O4 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4/c1-15-8-10-17(11-9-15)12-25-23-26-21-20(22(31)27-24(32)28(21)3)29(23)13-18(30)14-33-19-7-5-4-6-16(19)2/h4-11,18,30H,12-14H2,1-3H3,(H,25,26)(H,27,31,32)
InChIKey
FGRAEEHAXXCDCT-UHFFFAOYSA-N
Synonyms
313469-94-2
313469942
7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL8(((4METHYLPHENYL)METHYL)AMINO)137TRIHYDROPURINE26DIONE
7(2hydroxy3(2methylphenoxy)propyl)3methyl8((4methylbenzyl)amino)37dihydro1Hpurine26dione
7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL8((4METHYLPHENYL)METHYLAMINO)PURINE26DIONE
7(2HYDROXY3(OTOLYLOXY)PROPYL)3METHYL8((4METHYLBENZYL)AMINO)1HPURINE26(3H7H)DIONE
CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(COC4=CC=CC=C4C)O)C(=O)NC(=O)N3C
InChI=1SC24H27N5O4c11581017(11915)122523262120(22(31)2724(32)28(21)3)29(23)1318(30)143319754616(19)2h4111830H1214H213H3(H2526)(H273132)
MFCD01877061
OC(Cn1c(NCc2ccc(cc2)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1C
ZINC000000850883
ZINC000000850884

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.